spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid

C12H15NO4 — CID 82377124

IUPACspiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid
SMILESO=C(O)c1occ2c1OC1(CCCCC1)CN2
InChIInChI=1S/C12H15NO4/c14-11(15)10-9-8(6-16-10)13-7-12(17-9)4-2-1-3-5-12/h6,13H,1-5,7H2,(H,14,15)
InChIKeyMKSLRXLTTCTDTB-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.48
Rot. Bonds1

About spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid

spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid (PubChem CID 82377124) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid.

Molecular Properties

Compound Namespiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid
PubChem CID82377124
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namespiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid
SMILESO=C(O)c1occ2c1OC1(CCCCC1)CN2
InChIInChI=1S/C12H15NO4/c14-11(15)10-9-8(6-16-10)13-7-12(17-9)4-2-1-3-5-12/h6,13H,1-5,7H2,(H,14,15)
InChIKeyMKSLRXLTTCTDTB-UHFFFAOYSA-N
XLogP2.48
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid
CID 82377104
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol
CID 115097893
spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclohexane]-5-carboxylic acid
CID 82376578
spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclopentane]
CID 82377337
4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
CID 82376950
5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid
CID 82377689
spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid
CID 82376580
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol
CID 115098139
1-oxa-3-azaspiro[4.5]decane-2-thione
CID 10236033
5-chlorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-carboxylic acid
CID 58566512
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-5-ol
CID 115097986
2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid
CID 124509971

Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid?
The IUPAC name of spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid (CID 82377124) is spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid.
What is the SMILES notation for spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid?
The canonical SMILES for spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid is O=C(O)c1occ2c1OC1(CCCCC1)CN2.
What is the InChIKey of spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid?
The InChIKey is MKSLRXLTTCTDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-11(15)10-9-8(6-16-10)13-7-12(17-9)4-2-1-3-5-12/h6,13H,1-5,7H2,(H,14,15).
What are the key properties of spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid?
spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid is sourced from PubChem (CID 82377124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).